2Q7Y

Structure of the endogenous iNKT cell ligand iGb3 bound to mCD1d

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	T-cell surface glycoprotein CD1d1	polymer	285	32632.7	2	UniProt (P11609) Pfam (PF16497) Pfam (PF07654)	Mus musculus (house mouse)	CD1.1 antigen
2	B, D (B, D)	Beta-2-microglobulin	polymer	99	11660.4	2	UniProt (P01887) Pfam (PF07654)	Mus musculus (house mouse)
3	E, G (E, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
4	F (F)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
5	H, K, L (A, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
6	I, M (A, C)	N-[(1S,2R,3E)-1-({[ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]OXY}METHYL)-2-H YDROXYHEPTADEC-3-EN-1-YL]OCTANAMIDE	non-polymer		912.1	2	Chemie (IGC)
7	J, N (A, C)	PALMITIC ACID	non-polymer		256.4	2	Chemie (PLM)
8	O, P, Q, R (A, B, C, D)	water	water		18.0	351	Chemie (HOH)

Sequence modifications

A, C: 1 - 279 (UniProt: P11609)

PDB	External Database	Details
His 201	Asp 219	conflict
His 280	-	expression tag
His 281	-	expression tag
His 282	-	expression tag
His 283	-	expression tag
His 284	-	expression tag
His 285	-	expression tag

B, D: 1 - 99 (UniProt: P01887)

PDB	External Database	Details
Ala 85	Asp 105	variant

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	88586.0
Branched	Number of molecules	3
	Total formula weight	1759.6
Non-Polymers*	Number of molecules	7
	Total formula weight	3000.7
All*	Total formula weight	93346.4

*Water molecules are not included.